N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine

C18H31NO — CID 43770845

IUPACN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine
SMILESCC(NCCCOC1CCCCC1)C1CC2C=CC1C2
InChIInChI=1S/C18H31NO/c1-14(18-13-15-8-9-16(18)12-15)19-10-5-11-20-17-6-3-2-4-7-17/h8-9,14-19H,2-7,10-13H2,1H3
InChIKeyBXZXFLNGYRRXPY-UHFFFAOYSA-N
MW277.45 g/mol
LogP3.92
Rot. Bonds7

About N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine

N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine (PubChem CID 43770845) has the molecular formula C18H31NO and a molecular weight of 277.45 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine
PubChem CID43770845
Molecular FormulaC18H31NO
Molecular Weight277.45 g/mol
Exact Mass277.24
IUPAC NameN-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine
SMILESCC(NCCCOC1CCCCC1)C1CC2C=CC1C2
InChIInChI=1S/C18H31NO/c1-14(18-13-15-8-9-16(18)12-15)19-10-5-11-20-17-6-3-2-4-7-17/h8-9,14-19H,2-7,10-13H2,1H3
InChIKeyBXZXFLNGYRRXPY-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.45
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(2-cyclohexylethyl)ethanamine
CID 63450487
1-(2-bicyclo[2.2.1]hept-5-enyl)-N-(cyclohexylmethyl)ethanamine
CID 43775634
methyl 4-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]butanoate
CID 60782530
N-(3-cyclohexyloxypropyl)-3-methylpentan-2-amine
CID 43104261
5-(2-cyclohexyloxyethoxy)bicyclo[2.2.1]hept-2-ene
CID 91468107
N-(3-cyclohexyloxypropyl)-1-cyclopropylpropan-2-amine
CID 115707843
(2S)-N-(3-cyclohexyloxypropyl)-1-methylsulfanylpropan-2-amine
CID 125443596
methyl 3-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethylamino]propanoate
CID 43774728
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-N',N'-diethylethane-1,2-diamine
CID 43761798
3-cyclohexyloxy-N-(1-phenylethyl)propan-1-amine
CID 43079659
3-cyclohexyloxy-N-(dicyclopropylmethyl)propan-1-amine
CID 43362870
N-(3-cyclohexyloxypropyl)-1-pyrrolidin-2-ylpropan-2-amine
CID 79540247

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine (CID 43770845) is N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine is CC(NCCCOC1CCCCC1)C1CC2C=CC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine?
The InChIKey is BXZXFLNGYRRXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO/c1-14(18-13-15-8-9-16(18)12-15)19-10-5-11-20-17-6-3-2-4-7-17/h8-9,14-19H,2-7,10-13H2,1H3.
What are the key properties of N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine?
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine has a molecular weight of 277.45 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-cyclohexyloxypropan-1-amine is sourced from PubChem (CID 43770845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).